Tunable band alignment engineering in two-dimensional Janus SnSSe/phosphorene van der Waals heterostructures

Two-Dimensional Janus van der Waals Heterojunctions SnX2@SnSSe (X = S, Se) as Promising Solar-Driven Water-Splitting Photocatalysts

“…As previously studied, the MX 2 and Janus MSSe monolayers possess sandwich structures, which are analogous to the TMDs (involving T and H common phases) . The calculated lattice constants of T-phase GeS 2 (SnS 2 ), GeSe 2 (SnSe 2 ), and Janus GeSSe (SnSSe) monolayers are 3.45 (3.69), 3.63 (3.86), and 3.54 (3.78) Å, respectively (Table S1), which are in line with previous studies. ,− The parameters of single-layer Janus T-MSSe are among those of the T-MS 2 and T-MSe 2 monolayers. The scenario of the H-phase configuration resembles that of the above-mentioned T-phase structure.…”

“…In addition, the disrupted out-of-plane structural symmetry in the Janus 2D semiconductor brings about an additional effectual measure to regulate the electronic and optical properties. For example, Xia et al 40 theoretically designed 2D Janus SnSSe/phosphorene vdWHs with adjustable band alignment. Meanwhile, the breaking characteristic of the Janus configuration can induce a built-in electric field, which is beneficial to promote the progression of the photocatalytic reaction.…”

Strain controllable band alignment and the interfacial and optical properties of tellurene/GaAs van der Waals heterostructures

“…van der Waals heterostructures (vdWHs), vertically stacked two or more monolayer materials, have attracted widespread attention due to their intriguing physical properties and potential device applications 1–3 in recent years. The semiconductor–semiconductor and metal–semiconductor contacts 4,5 are important types of vdWHs, which have been widely used for nanoelectronic, 6 optoelectronic, 7 thermotronic, 8 and spintronic 9 devices. The semiconductor–semiconductor contacted vdWHs exhibit three types of band alignment ( i.e.…”